2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide

C25H31N3O3 — CID 86954997

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCOc1ccc(C2C(CNC(=O)Cc3c[nH]c4ccc(OC)cc34)CCCN2C)cc1
InChIInChI=1S/C25H31N3O3/c1-28-12-4-5-18(25(28)17-6-8-20(30-2)9-7-17)15-27-24(29)13-19-16-26-23-11-10-21(31-3)14-22(19)23/h6-11,14,16,18,25-26H,4-5,12-13,15H2,1-3H3,(H,27,29)
InChIKeyNVWYFNMTEQYZNJ-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.93
Rot. Bonds7

About 2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide

2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide (PubChem CID 86954997) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
PubChem CID86954997
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCOc1ccc(C2C(CNC(=O)Cc3c[nH]c4ccc(OC)cc34)CCCN2C)cc1
InChIInChI=1S/C25H31N3O3/c1-28-12-4-5-18(25(28)17-6-8-20(30-2)9-7-17)15-27-24(29)13-19-16-26-23-11-10-21(31-3)14-22(19)23/h6-11,14,16,18,25-26H,4-5,12-13,15H2,1-3H3,(H,27,29)
InChIKeyNVWYFNMTEQYZNJ-UHFFFAOYSA-N
XLogP3.93
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954890
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954866
N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60614816
N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide
CID 86954895
N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methoxy-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
CID 91920957
2-(5-methoxy-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 113209588
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
CID 86954874
ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 113209618

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide (CID 86954997) is 2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide is COc1ccc(C2C(CNC(=O)Cc3c[nH]c4ccc(OC)cc34)CCCN2C)cc1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide?
The InChIKey is NVWYFNMTEQYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-28-12-4-5-18(25(28)17-6-8-20(30-2)9-7-17)15-27-24(29)13-19-16-26-23-11-10-21(31-3)14-22(19)23/h6-11,14,16,18,25-26H,4-5,12-13,15H2,1-3H3,(H,27,29).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide?
2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 86954997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).